N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide

C22H22N4O — CID 8670425

IUPACN-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccccc1
InChIInChI=1S/C22H22N4O/c27-22(18-7-3-1-4-8-18)23-19-11-9-17(10-12-19)20-13-14-21(25-24-20)26-15-5-2-6-16-26/h1,3-4,7-14H,2,5-6,15-16H2,(H,23,27)
InChIKeyRZXCLGNKKYSPKZ-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.39
Rot. Bonds4

About N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide

N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 8670425) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID8670425
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccccc1
InChIInChI=1S/C22H22N4O/c27-22(18-7-3-1-4-8-18)23-19-11-9-17(10-12-19)20-13-14-21(25-24-20)26-15-5-2-6-16-26/h1,3-4,7-14H,2,5-6,15-16H2,(H,23,27)
InChIKeyRZXCLGNKKYSPKZ-UHFFFAOYSA-N
XLogP4.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 121046314
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
3-methyl-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670441
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 41089324
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 41077843
2-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593284
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 41089339
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 41077882
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7593475

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide (CID 8670425) is N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is RZXCLGNKKYSPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22(18-7-3-1-4-8-18)23-19-11-9-17(10-12-19)20-13-14-21(25-24-20)26-15-5-2-6-16-26/h1,3-4,7-14H,2,5-6,15-16H2,(H,23,27).
What are the key properties of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide?
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 358.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 8670425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).